2-(4-iodoanilino)-1-(4-methylphenyl)ethanone

C15H14INO — CID 110823714

IUPAC2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C15H14INO/c1-11-2-4-12(5-3-11)15(18)10-17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3
InChIKeyHBQPJMGLHLJDDV-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone

2-(4-iodoanilino)-1-(4-methylphenyl)ethanone (PubChem CID 110823714) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
PubChem CID110823714
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C15H14INO/c1-11-2-4-12(5-3-11)15(18)10-17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3
InChIKeyHBQPJMGLHLJDDV-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-2-(4-methylanilino)ethanone
CID 35580992
2-(4-methylanilino)-1-phenylethanone
CID 4230722
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone (CID 110823714) is 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNc2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone?
The InChIKey is HBQPJMGLHLJDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c1-11-2-4-12(5-3-11)15(18)10-17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3.
What are the key properties of 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone?
2-(4-iodoanilino)-1-(4-methylphenyl)ethanone has a molecular weight of 351.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 110823714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).